Chemical ID: 5304995

Cc1cccc(c1)c2nnc(n2c3ccc(cc3)Cl)SCc4c(cccc4F)F
Chemical ID:
5304995
Name [?]:
4-(4-chlorophenyl)-3-[(2,6-difluorophenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazole
SMILES [?]:
Cc1cccc(c1)c2nnc(n2c3ccc(cc3)Cl)SCc4c(cccc4F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16ClF2N3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3575
Area:617.48
Solvation:-3.07954
Coulombic:-23.3251
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:427.898
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:8.45
LogP (Chemaxon):6.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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